Vitas-M small molecule compound
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-chloro-3-nitrobenzamide
Catalog ID
STL379129
SMILES Cc1ccc(cc1NC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)c1nc2c(o1)cccc2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H14ClN3O4 MW 407.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClN3O4/c1-12-6-7-14(21-24-16-4-2-3-5-19(16)29-21)10-17(12)23-20(26)13-8-9-15(22)18(11-13)25(27)28/h2-11H,1H3,(H,23,26)InChIKey
ILXYWTCQOTXZLJ-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=O)C4=CC(=C(C=C4)Cl)(N+)(=O)(O)
Cc1ccc(cc1NC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl)c1nc2c(o1)cccc2
InChI=1SC21H14ClN3O4c1126714(212416423519(16)2921)1017(12)2320(26)138915(22)18(1113)25(27)28h211H1H3(H2326)
MFCD01145817
N(5(13benzoxazol2yl)2methylphenyl)4chloro3nitrobenzamide
ZINC000001413999
ZINC1413999
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